N,N-diethyl-4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-benzenesulfonamide Openeye Name: N,N-diethyl-4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-benzenesulfonamide CAS Name: N,N-diethyl-4-[[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzenesulfonamide Traditional Name: N,N-diethyl-4-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]sulfonyl-benzenesulfonamide Formula: C21H29FN3O4S2+ MolecularWeight: 470.601063

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3F

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=CC=C3F

InChI

InChI=1S/C21H28FN3O4S2/c1-3-24(4-2)30(26,27)19-9-11-20(12-10-19)31(28,29)25-15-13-23(14-16-25)17-18-7-5-6-8-21(18)22/h5-12H,3-4,13-17H2,1-2H3/p+1